(2-ethoxy-1-fluoro-2-methylbutyl)-trimethylazanium

C10H23FNO+ — CID 87169826

IUPAC(2-ethoxy-1-fluoro-2-methylbutyl)-trimethylazanium
SMILESCCOC(C)(CC)C(F)[N+](C)(C)C
InChIInChI=1S/C10H23FNO/c1-7-10(3,13-8-2)9(11)12(4,5)6/h9H,7-8H2,1-6H3/q+1
InChIKeyMWZTZTWBRVNVIO-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.19
Rot. Bonds5

About (2-ethoxy-1-fluoro-2-methylbutyl)-trimethylazanium

(2-ethoxy-1-fluoro-2-methylbutyl)-trimethylazanium (PubChem CID 87169826) has the molecular formula C10H23FNO+ and a molecular weight of 192.30 g/mol. Its IUPAC name is (2-ethoxy-1-fluoro-2-methylbutyl)-trimethylazanium.

Molecular Properties

Compound Name(2-ethoxy-1-fluoro-2-methylbutyl)-trimethylazanium
PubChem CID87169826
Molecular FormulaC10H23FNO+
Molecular Weight192.30 g/mol
Exact Mass192.18
IUPAC Name(2-ethoxy-1-fluoro-2-methylbutyl)-trimethylazanium
SMILESCCOC(C)(CC)C(F)[N+](C)(C)C
InChIInChI=1S/C10H23FNO/c1-7-10(3,13-8-2)9(11)12(4,5)6/h9H,7-8H2,1-6H3/q+1
InChIKeyMWZTZTWBRVNVIO-UHFFFAOYSA-N
XLogP2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-1-fluoro-2-methylbutyl)-trimethylazanium?
The IUPAC name of (2-ethoxy-1-fluoro-2-methylbutyl)-trimethylazanium (CID 87169826) is (2-ethoxy-1-fluoro-2-methylbutyl)-trimethylazanium.
What is the SMILES notation for (2-ethoxy-1-fluoro-2-methylbutyl)-trimethylazanium?
The canonical SMILES for (2-ethoxy-1-fluoro-2-methylbutyl)-trimethylazanium is CCOC(C)(CC)C(F)[N+](C)(C)C.
What is the InChIKey of (2-ethoxy-1-fluoro-2-methylbutyl)-trimethylazanium?
The InChIKey is MWZTZTWBRVNVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23FNO/c1-7-10(3,13-8-2)9(11)12(4,5)6/h9H,7-8H2,1-6H3/q+1.
What are the key properties of (2-ethoxy-1-fluoro-2-methylbutyl)-trimethylazanium?
(2-ethoxy-1-fluoro-2-methylbutyl)-trimethylazanium has a molecular weight of 192.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-1-fluoro-2-methylbutyl)-trimethylazanium is sourced from PubChem (CID 87169826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).